黄酮类多药耐药相关蛋白抑制活性的构效关系研究(3)
[8] Boumendjel A， Baubichon-Cortay H， Trompier D， et al. Anticancer multidrug resistance mediated by MRP1： recent advances in the discovery of reversal agents [J]. Med Res Rev， 2005， 25(4)： 453.
[9] 杨帆，刘艾林，杜冠华.黄酮类化合物对肿瘤多药耐药调节作用的研究进展[J].中国新药杂志， 2010 (2)： 109.
[10] 朱荣鑫，张赛龙，金永生.黄酮类化合物抗肿瘤作用研究进展[J]. 现代药物与临床， 2010(1)： 5.
[11] 玛依努尔·艾力. 异常黑胆质成熟剂总黄酮抗肿瘤及逆转肿瘤细胞耐药性机制研究[D]. 乌鲁木齐：新疆医科大学，2008.
Study on structure-activity relationship of flavonoids′ multidrug
resistance-associated protein inhibitory activity
QIAO Lian-sheng， HE Yu-su， ZHANG Yan-ling*
(Beijing University of Chinese Medicine， Research Center of Traditional Chinese Medicine-
information Engineering， Beijing 100102， China)
[Abstract] To study the quantitative structure-activity relationship (QSAR) between the stuctures of 29 flavonoids and the inhibitory activity of their multidrug resistance-associated protein (MRP) 1 and 2 by using the comparative molecular similarity index analysis (CoMSIA). By studying the impact of the combination of different molecular force fields， researchers obtained the molecular force fields that played an important role in inhibiting the activity of MRP1 and MRP2， built the optimized QSAR model， and discussed the structural modification method for flavonoids′ multidrug resistance-associated protein inhibitor. The results of the study could not only provide the guidance for new drug R&D， but also help partially discuss the synergy mechanism between MRP1 and MRP2 receptors and traditional Chinese medicines containing flavonoids.
[Key words] multidrug resistance； comparative molecular similarity index analysis； flavonoid； QSAR
doi：10.4268/cjcmm20140525
[责任编辑 张宁宁], 百拇医药(乔连生 贺昱甦 张燕玲)
[9] 杨帆，刘艾林，杜冠华.黄酮类化合物对肿瘤多药耐药调节作用的研究进展[J].中国新药杂志， 2010 (2)： 109.
[10] 朱荣鑫，张赛龙，金永生.黄酮类化合物抗肿瘤作用研究进展[J]. 现代药物与临床， 2010(1)： 5.
[11] 玛依努尔·艾力. 异常黑胆质成熟剂总黄酮抗肿瘤及逆转肿瘤细胞耐药性机制研究[D]. 乌鲁木齐：新疆医科大学，2008.
Study on structure-activity relationship of flavonoids′ multidrug
resistance-associated protein inhibitory activity
QIAO Lian-sheng， HE Yu-su， ZHANG Yan-ling*
(Beijing University of Chinese Medicine， Research Center of Traditional Chinese Medicine-
information Engineering， Beijing 100102， China)
[Abstract] To study the quantitative structure-activity relationship (QSAR) between the stuctures of 29 flavonoids and the inhibitory activity of their multidrug resistance-associated protein (MRP) 1 and 2 by using the comparative molecular similarity index analysis (CoMSIA). By studying the impact of the combination of different molecular force fields， researchers obtained the molecular force fields that played an important role in inhibiting the activity of MRP1 and MRP2， built the optimized QSAR model， and discussed the structural modification method for flavonoids′ multidrug resistance-associated protein inhibitor. The results of the study could not only provide the guidance for new drug R&D， but also help partially discuss the synergy mechanism between MRP1 and MRP2 receptors and traditional Chinese medicines containing flavonoids.
[Key words] multidrug resistance； comparative molecular similarity index analysis； flavonoid； QSAR
doi：10.4268/cjcmm20140525
[责任编辑 张宁宁], 百拇医药(乔连生 贺昱甦 张燕玲)